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Geometry for HOCH2CH2NH2 (monoethanolamine)

1910171554

CCSD=FULL/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.3776 -0.5685 0.1219   -1.3638 -0.6022 0.1143
C2 -0.6392 0.6444 -0.2852   -0.6525 0.6253 -0.2970
C3 0.7787 0.5569 0.2809   0.7616 0.5790 0.2830
O4 1.4385 -0.6215 -0.1722   1.4554 -0.5862 -0.1532
H5 -1.6761 -0.4891 1.0946   -1.6735 -0.5218 1.0834
H6 -2.2256 -0.6801 -0.4309   -2.2035 -0.7402 -0.4453
H7 -1.1140 1.5897 0.0432   -1.1543 1.5612 0.0184
H8 -0.5819 0.6525 -1.3860   -0.5850 0.6251 -1.3972
H9 1.3816 1.4161 -0.0534   1.3458 1.4502 -0.0535
H10 0.7376 0.5796 1.3895   0.7095 0.6105 1.3910
H11 0.7758 -1.3246 -0.1064   0.8101 -1.3053 -0.0871
Atom - Atom Distances (Å)
  N1 C2 C3 O4 H5 H6 H7 H8 H9 H10 H11
N1 1.4772 2.4375 2.8319 1.0206 1.0185 2.1756 2.0970 3.4033 2.7201 2.2936
C2 1.4772 1.5292 2.4356 2.0649 2.0718 1.1077 1.1023 2.1755 2.1690 2.4312
C3 2.4375 1.5292 1.4246 2.7897 3.3261 2.1692 2.1537 1.1016 1.1097 1.9209
O4 2.8319 2.4356 1.4246 3.3651 3.6738 3.3840 2.6792 2.0418 2.0912 0.9684
H5 1.0206 2.0649 2.7897 3.3651 1.6327 2.3963 2.9417 3.7812 2.6562 2.8553
H6 1.0185 2.0718 3.3261 3.6738 1.6327 2.5714 2.3216 4.1892 3.6989 3.0870
H7 2.1756 1.1077 2.1692 3.3840 2.3963 2.5714 1.7900 2.5035 2.5023 3.4766
H8 2.0970 1.1023 2.1537 2.6792 2.9417 2.3216 1.7900 2.4929 3.0741 2.7184
H9 3.4033 2.1755 1.1016 2.0418 3.7812 4.1892 2.5035 2.4929 1.7879 2.8073
H10 2.7201 2.1690 1.1097 2.0912 2.6562 3.6989 2.5023 3.0741 1.7879 2.4218
H11 2.2936 2.4312 1.9209 0.9684 2.8553 3.0870 3.4766 2.7184 2.8073 2.4218
Maximum atom distance is 4.1892Å between atoms H6 and H9.
picture of monoethanolamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C3 108.332 C2 C3 O4 111.043
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 113.876 N1 C2 H8 107.891
C2 N1 H5 110.179 C2 N1 H6 110.894
C2 C3 H9 110.526 C2 C3 H10 109.534
C3 C2 H7 109.667 C3 C2 H8 108.777
C3 O4 H11 105.185 O4 C3 H9 107.167
O4 C3 H10 110.597 H5 N1 H6 106.392
H7 C2 H8 108.183 H9 C3 H10 107.906

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.